| Compound ID | EN300-298552_1 |
| ΔG / kcal M-1 | −12.2 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2735 | MAT-POS-b3e365b9-1_1 |
|
EN300-298552_1_4 |
|
−3.2 ± 0.3 |
|
|
||||
| RUN3402 | MAT-POS-b3e365b9-1_1 |
|
EN300-298552_1_1 |
|
−2.6 ± 0.2 |
|
|
||||
| RUN2584 | MAT-POS-b3e365b9-1_1 |
|
EN300-298552_1_3 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN1373 | MAT-POS-b3e365b9-1_1 |
|
EN300-298552_1_2 |
|
−2.4 ± 0.3 |
|
|
||||